Geometry & MOs

Info

ID:	27482
PubChem CID:	821573
Reduced:	ON2H12C20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	83.29
Dipole, Da:	2.99
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-2-ylidene)pentane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC(=C3N2C=CC4=CC=CC=C43)C#N

DOS

IR

Vibrations